Huperzine B Structure

Huperzine B

Chemical Properties

Boiling point 533.5±50.0 °C(Predicted)
Density  1.21±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF:1.0(Max Conc. mg/mL);3.9(Max Conc. mM)
DMSO:1.0(Max Conc. mg/mL);3.9(Max Conc. mM)
Ethanol:2.0(Max Conc. mg/mL);7.8(Max Conc. mM)
form  A solid
pka 12.92±0.40(Predicted)
color  White to off-white
InChI InChI=1/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/s3
InChIKey YYWGABLTRMRUIT-YQLZAFFXNA-N
SMILES [C@@]123NCCC[C@]1([H])[C@]([H])(CC1NC(=O)C=CC2=1)C=C(C)C3 |&1:0,5,7,r|

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H310-H300-H330
Precautionary statements P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
NFPA 704:
0
4 0

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